JKE-1674 | CAS#2421119-60-8 | GPX4 Inhibitor

MedKoo Cat#: 574305 | Name: JKE-1674

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

JKE-1674 is an inhibitor of glutathione peroxidase 4 (GPX4) and an active metabolite of the GPX4 inhibitor ML-210. JKE-1674 reduces viability of LOX-IMVI cancer cells and in a panel of additional cancer cell lines, an effect that can be blocked by the ferroptosis inhibitor ferrostatin-1.

Chemical Structure

JKE-1674

CAS#2421119-60-8

Theoretical Analysis

MedKoo Cat#: 574305

Name: JKE-1674

CAS#: 2421119-60-8

Chemical Formula: C20H20Cl2N4O4

Exact Mass: 450.0862

Molecular Weight: 451.30

Elemental Analysis: C, 53.23; H, 4.47; Cl, 15.71; N, 12.41; O, 14.18

Price and Availability

Size	Price	Availability	Quantity
1mg	USD 250.00	2 Weeks
5mg	USD 550.00	2 Weeks

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Related CAS #

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Synonym

JKE-1674, JKE1674, JKE 1674

IUPAC/Chemical Name

(E)-1-(4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)-2-(hydroxyimino)-3-nitropropan-1-one

InChi Key

XIOHKIAPXVDWCP-PTGBLXJZSA-N

InChi Code

InChI=1S/C20H20Cl2N4O4/c21-16-5-1-14(2-6-16)19(15-3-7-17(22)8-4-15)24-9-11-25(12-10-24)20(27)18(23-28)13-26(29)30/h1-8,19,28H,9-13H2/b23-18+

SMILES Code

O=C(C(C[N+]([O-])=O)=NO)N1CCN(C(C2=CC=C(Cl)C=C2)C3=CC=C(Cl)C=C3)CC1

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Product Data

Product Data

Certificate of Analysis

View CoA: current batch, Lot# C21M07C13

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Biological target:

JKE-1674 is an orally active glutathione peroxidase 4 (GPX4) inhibitor and an active metabolite of GPX4 inhibitor ML-210.

In vitro activity:

By investigating the relevance of this reaction to ML210 activation, this study identified conditions that rapidly convert ML210 to its corresponding α-nitroketoxime, JKE-1674 (37) (Fig. 3d and Supplementary Fig. 10a). JKE-1674 exhibits activity indistinguishable from that of ML210 in cellular target engagement assays (Fig. 3e,f), including yielding the same +434 Da GPX4 adduct in cells (Fig. 3f). Reference: Nat Chem Biol. 2020 May;16(5):497-506. https://pubmed.ncbi.nlm.nih.gov/32231343/

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	Soluble in DMSO	0.0	100.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 451.30 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

1. Eaton JK, Furst L, Ruberto RA, Moosmayer D, Hilpmann A, Ryan MJ, Zimmermann K, Cai LL, Niehues M, Badock V, Kramm A, Chen S, Hillig RC, Clemons PA, Gradl S, Montagnon C, Lazarski KE, Christian S, Bajrami B, Neuhaus R, Eheim AL, Viswanathan VS, Schreiber SL. Selective covalent targeting of GPX4 using masked nitrile-oxide electrophiles. Nat Chem Biol. 2020 May;16(5):497-506. doi: 10.1038/s41589-020-0501-5. Epub 2020 Mar 30. PMID: 32231343; PMCID: PMC7251976.

In vitro protocol:

In vivo protocol:

TBD

1. Eaton, J.K., Furst, L., Ruberto, R.A., et al. Selective covalent targeting of GPX4 using masked nitrile-oxide electrophiles. Nat. Chem. Biol. 16(5), 497-506 (2020).